Oxalic Acid

Oxalic Acid

SCHEMBL7433702

NCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12.O=C(O)C(=O)O

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.90
HTR1A P08908 2/20 0.64
HTR1D P28221 2/20 0.64
HTR1B P28222 2/20 0.64
HTR1F P30939 2/20 0.64
HTR7 P34969 2/20 0.64
DRD3 P35462 2/20 0.64
DRD2 P14416 1/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1357126 0.95 HTR6 (1.00) HTR6HTR1AHTR1DHTR1BHTR1F
Oxalic Acid SCHEMBL7441099 0.85 HTR6 (0.65) HTR6HTR1DHTR1BHTR7
Oxalic Acid SCHEMBL7433685 0.85 HTR6 (0.90) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL15250049 0.84 HTR6 (1.00) HTR6
SCHEMBL3033927 0.84 HTR6 (0.71) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL7894537 0.83 HTR6 (0.74) HTR6HTR1AHTR1DHTR1BHTR1F
Oxalic Acid SCHEMBL7436726 0.83 HTR6 (0.69) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL7436342 0.82 HTR6 (0.73) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL946691 0.82 HTR6 (0.75) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL16704081 0.81 HTR6 (0.69) HTR6HTR1AHTR1DHTR1BHTR1F

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187805-B1 TREATING CONDITION FOR WHICH SELECTIVE AGONISM OR ANTAGONISM OF 5-HT-6 RECEPTORS IS INDICATED BY ADMINISTERING COMPOUNDS SUCH AS N,N-DIMETHYL 2-(1-(BENZENESULPHONYL)-5-METHOXY-1H-INDOL-3-YL)ETHYLAMINE MERCK SHARP & DOHME LTD. (GB) 2001-02-13 US disclosed